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BDBM50447289 CHEMBL3113981

SMILES: CC(O)(c1ccc(cc1)N1CCN(C[C@@H]1CN1CCC(F)(F)CC1)S(=O)(=O)c1cccs1)C(F)(F)F

InChI Key: InChIKey=DHWILEOQAVRHSB-ZQRQZVKFSA-N

Data: 1 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50447289   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glucokinase


(Mus musculus (Mouse))
BDBM50447289
PNG
(CHEMBL3113981)
Show SMILES CC(O)(c1ccc(cc1)N1CCN(C[C@@H]1CN1CCC(F)(F)CC1)S(=O)(=O)c1cccs1)C(F)(F)F |r|
Show InChI InChI=1S/C23H28F5N3O3S2/c1-21(32,23(26,27)28)17-4-6-18(7-5-17)31-13-12-30(36(33,34)20-3-2-14-35-20)16-19(31)15-29-10-8-22(24,25)9-11-29/h2-7,14,19,32H,8-13,15-16H2,1H3/t19-,21?/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.25E+4n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of GK translocation from nucleus to cytoplasm of mouse hepatocytes preincubated for 20 mins followed by glucose challenge measured after 40...


J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM50447289
PNG
(CHEMBL3113981)
Show SMILES CC(O)(c1ccc(cc1)N1CCN(C[C@@H]1CN1CCC(F)(F)CC1)S(=O)(=O)c1cccs1)C(F)(F)F |r|
Show InChI InChI=1S/C23H28F5N3O3S2/c1-21(32,23(26,27)28)17-4-6-18(7-5-17)31-13-12-30(36(33,34)20-3-2-14-35-20)16-19(31)15-29-10-8-22(24,25)9-11-29/h2-7,14,19,32H,8-13,15-16H2,1H3/t19-,21?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 439n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled human GK interaction with biotin-labeled human GKRP incubated for 20 mins prior to addition of fluorescein-labeled ...


J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair